4-{rel-(3aR,7aR)-5-(cyclopentylacetyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aR)-5-(cyclopentylacetyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-5-(cyclopentylacetyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
Compound ID: | S947-0354 |
Compound Name: | 4-{rel-(3aR,7aR)-5-(cyclopentylacetyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
Molecular Weight: | 489.58 |
Molecular Formula: | C27 H34 F3 N3 O2 |
Smiles: | C1CCC(C1)CC(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.8713 |
logD: | 4.8713 |
logSw: | -4.8896 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 46.007 |
InChI Key: | RDVQKUBRGXNCNR-ATIYNZHBSA-N |